0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 NCCOC1=CC=NC=C1 F31099 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,1,0,0,0,0|1,1,0]=3 33 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.21 O=C(O)COC1=NC=C(Br)C=N1 C10710 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.21 O=C(O)CSC1=NC=C(Br)C=N1 W17275 [0,1,0,0,0,0|2,1,0]=4 40 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 F16133 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 C77141 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.43 C[C@@H](CC1=NC=CC=N1)C(=O)O W18320 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.226 O=C(O)CNC1=CN=CC(Cl)=N1 30052 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,1,0,0,0,0|1,0,1]=3 87 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,0,0,1,0,0|2,0,1]=4 88 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,1,0,0|2,0,1]=4 90 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 O=C1CSC2=C(C=CN=C2)N1 W19614 [0,0,0,1,0,0|2,1,0]=4 104 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,0|2,0,1]=4 107 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,0|2,0,1]=4 108 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,0,0,1,0,0|2,0,1]=4 110 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,1,0|2,0,1]=4 111 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,1,0|2,0,0]=3 113 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,1,0|2,0,0]=3 114 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,1,0|3,0,0]=4 115 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,1,0|1,1,0]=3 116 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,1,0|2,0,0]=3 117 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [0,0,0,0,1,0|2,0,1]=4 118 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [0,0,0,0,1,0|2,0,1]=4 119 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,1,0|2,0,0]=3 120 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,1,0|2,0,0]=3 121 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,0,0,0,1,0|3,0,0]=4 122 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,0,0,0,1,0|3,0,0]=4 123 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.66 O=C(O)CCC1=CNN=C1 71939 [0,0,0,0,1,0|3,0,0]=4 125 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [0,0,0,0,1,0|3,0,0]=4 126 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [0,0,0,0,1,0|3,0,0]=4 127 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,0,0,0,1,0|3,0,0]=4 128 B10R1.66 O=C(O)CCN1C=CC=N1 30854 [0,0,0,0,1,0|3,0,0]=4 129 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,0,0,0,1|2,0,0]=3 130 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,0,0,0,0,1|2,0,0]=3 131 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,0,0,0,0,1|2,0,0]=3 132 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [2,0,0,0,0,0|1,0,1]=4 133 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 W16039 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [1,1,0,0,0,0|0,0,1]=3 142 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [1,1,0,0,0,0|1,0,0]=3 151 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,1,0|1,0,0]=3 174 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,0,0,1,0|1,0,1]=4 175 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,1,0|1,0,0]=3 176 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,1,0|2,0,0]=4 177 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,1,0|2,0,0]=4 178 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,1,0|1,0,0]=3 179 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,1,0|0,0,0]=2 180 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,1,0|1,0,0]=3 181 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,1,0,0,1,0|2,0,0]=4 182 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,1,0|1,0,0]=3 183 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [0,1,0,0,1,0|2,0,0]=4 184 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,1,0|1,0,0]=3 185 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,1,0|1,0,0]=3 186 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,1,0|1,0,0]=3 187 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,1,0|1,0,0]=3 188 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,0,0,1,0|2,0,0]=4 189 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,1,0,0,1,0|1,0,0]=3 190 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,1,0|1,0,1]=4 191 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,1,0,0,1,0|1,0,0]=3 192 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,1,0|2,0,0]=4 193 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,1,0,0,1,0|1,0,1]=4 194 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,1,0|2,0,0]=4 195 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,1,0,0,1,0|1,0,0]=3 196 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,1,0,0,1,0|1,0,0]=3 197 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,1,0,0,1,0|1,0,0]=3 198 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.86 O=C(O)CN1C=CC=CC1=O 71529 [0,1,0,0,1,0|1,0,0]=3 200 B11R1.86 O=C(O)CN1C=CC=NC1=O W12296 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [0,1,0,0,1,0|1,0,1]=4 202 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [0,1,0,0,1,0|1,0,1]=4 203 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,1,0|1,0,0]=3 204 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,1,0|1,0,0]=3 205 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,1,0,0,1,0|1,0,0]=3 206 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,1,0,0,1,0|1,0,0]=3 207 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,1,0,0,1,0|1,0,0]=3 208 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,1,0,0,1,0|1,0,0]=3 209 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,1,0,0,1,0|1,0,1]=4 210 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,0,0,1,0|1,0,1]=4 211 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,1,0,0,1,0|1,0,0]=3 214 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,1,0,0,1,0|1,0,0]=3 215 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,1,0|1,0,0]=3 216 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,0,0,1,0|2,0,0]=4 221 B11R1.509 O=S(=O)(O)CC1=NC=CC=C1 95731 [0,1,0,0,1,0|2,0,0]=4 222 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,1,0,0,1,0|2,0,0]=4 223 B11R1.35 C[C@H](SC1=CC=CS1)C(=O)O W16393 [0,1,0,0,1,0|1,1,0]=4 224 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.75 CC1=CSC(CCC(=O)O)=C1 72711 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 Y11316 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 D81679 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 N12535 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 A12829 [0,1,0,0,1,0|2,0,0]=4 232 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,1,0,0,0,1|1,0,1]=4 233 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [0,1,0,0,0,1|2,0,0]=4 234 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [0,1,0,0,0,1|1,0,0]=3 235 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [0,1,0,0,0,1|1,0,0]=3 236 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [0,1,0,0,0,1|1,0,0]=3 237 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,1,0,0,0,1|1,0,0]=3 238 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [0,1,0,0,0,1|2,0,0]=4 239 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 AC1695 [0,1,0,0,0,1|0,0,0]=2 240 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [0,1,0,0,0,1|1,0,0]=3 241 B13R1.149 O=C(O)CCNC1=CC=CC(Cl)=N1 D70940 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 29126 [0,1,0,0,0,1|1,0,0]=3 243 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC1669 [0,1,0,0,0,1|0,0,0]=2 244 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC1671 [0,1,0,0,0,1|0,0,0]=2 245 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 21126 [0,1,0,0,0,1|1,0,0]=3 246 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [0,1,0,0,0,1|2,0,0]=4 247 B13R1.158 CC(C)=CCOC1=C(C)C=CC=C1 D94395 [0,1,0,0,0,1|2,0,0]=4 248 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [0,1,0,0,0,1|1,0,0]=3 249 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [0,1,0,0,0,1|1,0,0]=3 250 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [0,1,0,0,0,1|0,0,0]=2 251 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 30855 [0,1,0,0,0,1|0,0,0]=2 252 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,0,1|2,0,0]=4 253 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,1,0,0,0,1|1,0,0]=3 254 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,1,0,0,0,1|1,0,0]=3 255 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,1,0,0,0,1|1,0,0]=3 256 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,1,0,0,0,1|1,0,0]=3 257 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [0,1,0,0,0,1|2,0,0]=4 258 B13R1.513 CC(C)=CCOC1=CC=C(Br)C=C1 F13242 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [0,1,0,0,0,1|1,0,0]=3 260 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [0,1,0,0,0,1|1,0,0]=3 261 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [0,1,0,0,0,1|0,0,0]=2 262 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,1,0,0,0,1|1,0,0]=3 263 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,1,0,0,0,1|0,0,0]=2 264 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,1,0,0,0,1|1,0,0]=3 265 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,1,0,0,0,1|1,0,1]=4 266 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 36094 [0,1,0,0,0,1|1,0,1]=4 267 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 W15207 [0,1,0,0,0,1|1,0,1]=4 268 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,1,0,0,0,1|2,0,0]=4 269 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10194 [0,1,0,0,0,1|0,0,2]=4 270 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 72582 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 A50582 [0,2,0,0,0,0|0,0,0]=2 274 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 F15255 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.14 COC(=O)CCC1=CN=C(N)C=C1 76336 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [0,2,0,0,0,0|0,0,0]=2 280 B13R1.14 COC(=O)COC1=CN=C(Cl)C=C1 AC2367 [0,2,0,0,0,0|1,0,0]=3 281 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 C13505 [0,2,0,0,0,0|1,1,0]=4 282 B13R1.14 OC[C@H](O)COC1=CC=C(Br)C=C1 24246 [0,2,0,0,0,0|0,0,2]=4 283 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,2,0,0,0,0|2,0,0]=4 284 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [0,2,0,0,0,0|1,0,0]=3 286 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [0,2,0,0,0,0|1,0,0]=3 289 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [0,2,0,0,0,0|1,0,0]=3 290 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [0,2,0,0,0,0|0,0,0]=2 292 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.133 C[C@H](OC1=CC=C(Cl)C=C1)C(=O)O A50595 [0,2,0,0,0,0|0,0,0]=2 296 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O D95596 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.133 N[C@@H](CC1=CN=C(Cl)C=C1)C(=O)O Y12874 [0,2,0,0,0,0|2,0,0]=4 300 B13R1.133 N[C@@H](CC1=NC=C(Br)C=C1)C(=O)O Y10844 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [0,2,0,0,0,0|1,0,0]=3 303 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.164 CC1=NC(C)=C(CCC(=O)O)C=C1 W13668 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.164 O=C(O)C#CC1=C(F)C=C(F)C=C1 W10207 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 Y10269 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [0,2,0,0,0,0|1,0,0]=3 309 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 I11543 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D72463 [0,2,0,0,0,0|0,0,0]=2 312 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 35674 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Cl)C=C1 22238 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [0,2,0,0,0,0|1,0,0]=3 316 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [0,2,0,0,0,0|1,0,0]=3 317 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [0,2,0,0,0,0|1,0,0]=3 318 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [0,2,0,0,0,0|1,0,0]=3 319 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 A50585 [0,2,0,0,0,0|0,0,0]=2 320 B13R1.511 O=C(O)COC1=CC(F)=C(Cl)C=C1 W18931 [0,2,0,0,0,0|0,0,0]=2 321 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,2,0,0,0,0|1,0,0]=3 323 B13R1.11 COC(=O)C[C@H](N)C1=CN=CC=C1 30406 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 N11169 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,2,0,0,0,0|1,0,0]=3 326 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,2,0,0,0,0|1,0,0]=3 327 B13R1.15 COC(=O)\C=C\C1=CC(C)=CC=C1 W11679 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 A11407 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.528 COC(=O)\C=C\C1=C(C)C=CC=C1 W11677 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 W11676 [0,2,0,0,0,0|1,0,1]=4 340 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 S10571 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CN=C1 Y12927 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.148 N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O Y12928 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [0,2,0,0,0,0|1,0,0]=3 347 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13384 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=N1 Y10840 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 76517 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O Y12459 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O I10720 [0,2,0,0,0,0|1,0,0]=3 355 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y10472 [0,2,0,0,0,0|1,0,0]=3 356 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y11730 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87873 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 Y13375 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62468 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 55908 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=N1 Y12895 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61005 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 23591 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50482 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50424 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 77804 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CN=C1Cl Y11710 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 D73877 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.90 COC1=C(CCC(=O)O)C=CC=N1 72713 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.90 COC1=C(OCC(C)=O)C=CC=C1 W13435 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.90 COC1=CC=CN=C1CCC(=O)O 72712 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 C77342 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1F 24949 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1F F16447 [0,2,0,0,0,0|1,0,1]=4 382 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 73542 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.893 O=C(O)CCC1=C(F)C=CC(Br)=C1 F52877 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.893 O=C(O)CCC1=C(F)C=CC(Cl)=C1 F52874 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.893 O=C(O)CCC1=C(O)C=CC(Cl)=C1 I11661 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.893 O=C(O)COC1=C(F)C=CC(F)=C1 71623 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.893 O=C(O)\C=C\C1=C(O)C=CC(O)=C1 A11070 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl C75693 [0,2,0,0,0,0|0,0,0]=2 389 B13R1.3787 O=C(O)CSC1=C(Cl)C=CC=C1Cl 76880 [0,2,0,0,0,0|0,1,0]=3 390 B13R1.643 COC1=CC(CCC(=O)O)=CN=C1 72579 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.643 COC1=CC=CC(C#CC(=O)O)=C1 D86459 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.643 COC1=CC=CC(CCC(=O)O)=N1 72054 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.643 N#CC1=CC=CC(OCC(=O)O)=C1 31482 [0,2,0,0,0,0|0,0,0]=2 394 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 C80051 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.3420 CC(=O)COC1=CC(Cl)=CC(Cl)=C1 F50431 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 F52862 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.3420 O=C(O)\C=C\C1=CC(O)=CC(O)=C1 D81623 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,0,1,1,0,0|1,0,1]=4 399 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [1,0,0,1,0,0|1,0,1]=4 401 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [1,0,0,1,0,0|1,0,1]=4 402 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [1,0,0,1,0,0|1,0,0]=3 405 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [1,0,0,1,0,0|1,0,0]=3 406 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [1,0,0,1,0,0|0,1,0]=3 407 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|1,0,1]=4 410 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [1,0,0,1,0,0|1,0,1]=4 411 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|1,0,1]=4 412 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [1,0,0,1,0,0|1,0,1]=4 414 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,0,0,1,1,0|1,0,1]=4 415 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,1,0|1,0,1]=4 416 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,0,0,1,1,0|1,0,1]=4 417 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,1,0|2,0,0]=4 418 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,1,1,0|2,0,0]=4 419 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,1,1,0|2,0,0]=4 420 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,1,1,0|2,0,0]=4 421 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,1,0|2,0,0]=4 422 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,0,0,1,0,1|2,0,0]=4 423 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,1,0,1|2,0,0]=4 424 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,1,0,1|2,0,0]=4 425 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,1|1,0,0]=3 426 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [0,0,0,1,0,1|2,0,0]=4 427 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,1,0,1|2,0,0]=4 428 B13R2.72 NC(=O)[C@@H]1NCC2=C1C=CC=C2 D84861 [0,0,0,1,0,1|2,0,0]=4 429 B13R2.72 O=C(O)[C@@H]1CNC2=C1C=CC=C2 60540 [0,0,0,1,0,1|1,0,0]=3 430 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [0,0,0,1,0,1|1,0,0]=3 431 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [0,0,0,1,0,1|1,0,0]=3 432 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [0,0,0,1,0,1|1,0,0]=3 433 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,1,0,1|1,0,0]=3 434 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,0,1,0,1|2,0,0]=4 435 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 F52568 [0,0,0,1,0,1|2,0,0]=4 436 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F52567 [0,0,0,1,0,1|2,0,0]=4 437 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [0,0,0,1,0,1|2,0,0]=4 438 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,0,1,0,1|1,0,0]=3 439 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,0,1,0,1|1,0,0]=3 440 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 84939 [0,0,0,1,0,1|2,0,0]=4 441 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 C93523 [0,0,0,1,0,1|2,0,0]=4 442 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT10071 [0,0,0,1,0,1|2,0,0]=4 443 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 AT22878 [0,0,0,1,0,1|2,0,0]=4 444 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [0,0,0,1,0,1|2,0,0]=4 445 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [0,0,0,1,0,1|2,0,0]=4 446 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.155 NC1=CC=C2OCC(=O)NC2=N1 C90454 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)O1 AC2173 [0,1,0,1,0,0|1,0,1]=4 450 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 69684 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.155 O=C1CNC2=C(C=C(Cl)C=C2)N1 58140 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.155 O=C1CNC2=C(C=C(F)C=C2)N1 A12734 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.155 O=C1COC2=CN=C(Br)C=C2N1 AC2167 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.155 O=C1COC2=CN=C(Cl)C=C2N1 31037 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.155 O=C1COC2=NC=C(Br)C=C2N1 27163 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 77078 [0,1,0,1,0,0|1,1,0]=4 460 B13R2.155 O=C1CSC2=C(C=C(F)C=C2)N1 A12489 [0,1,0,1,0,0|1,1,0]=4 461 B13R2.527 ClC1=CC=C(OC[C@H]2CO2)C=C1 28141 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.527 FC1=CC=C(OC[C@H]2CO2)C=C1 28072 [0,1,0,1,0,0|1,0,1]=4 463 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 50132 [0,1,0,1,0,0|1,0,1]=4 465 B13R2.32 O=C1C2=C(C=CC=C2)OC[C@@H]1Br F31375 [0,1,0,1,0,0|1,0,1]=4 466 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10628 [0,1,0,1,0,0|0,0,2]=4 467 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10630 [0,1,0,1,0,0|0,0,2]=4 468 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,1,0,1,0,0|1,0,1]=4 475 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,1,0,1,0,0|1,0,1]=4 476 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 25646 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,1,0,1,0,0|1,0,1]=4 479 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [0,1,0,1,0,0|1,0,1]=4 480 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,1,0,1,0,0|0,1,1]=4 481 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 P17966 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 20910 [0,1,0,1,0,0|0,0,2]=4 483 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,1,0,1,0,0|1,0,1]=4 484 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.3587 FC1=C(OC[C@H]2CO2)C=CC=C1 28298 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 D72057 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.5179 NC1=CC=CC2=C1CCC(=O)N2 80979 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 26384 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 28515 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.5179 O=C1COC2=C(C=CN=C2Cl)N1 80125 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [0,1,0,1,0,0|1,0,0]=3 494 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 91866 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)C1 91865 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 AC5320 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.162 CC1=CC=CC2=C1NC(=O)CO2 AC5872 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 F19924 [0,1,0,1,0,0|1,0,1]=4 499 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 F12566 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.162 O=C1CCC2=CC=CC(Br)=C2N1 56813 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 F16859 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 N10442 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 69687 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.162 O=C1CCC2=CC=CC(O)=C2N1 C91134 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.162 O=C1COC2=C(N1)C(Cl)=NC=C2 80186 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 90446 [0,1,0,1,0,0|1,0,0]=3 508 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 90424 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.162 O=C1COC2=NC=CC(Cl)=C2N1 84594 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [0,1,0,1,0,0|1,0,1]=4 512 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [0,1,0,1,0,0|1,0,1]=4 513 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 62820 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.3683 O=C1CNC2=C(C=CC(Br)=C2)N1 AC2129 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.3683 O=C1COC2=C(C=CC(Cl)=N2)N1 AT11681 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.3683 O=C1COC2=CC(Br)=CN=C2N1 71913 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,2,0|2,0,0]=4 522 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,0,0,2,0|1,0,0]=3 523 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,0,0,2,0|1,0,0]=3 524 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,0,0,0,2,0|2,0,0]=4 525 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,0,0,0,2,0|0,0,1]=3 526 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,0,0,0,2,0|2,0,0]=4 527 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,0,0,0,2,0|1,0,0]=3 528 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,0,0,0,2,0|2,0,0]=4 529 B9R1.13 O=C(O)CC1=CNN=C1 71976 [0,0,0,0,2,0|2,0,0]=4 530 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,0,0,0,2,0|2,0,0]=4 531 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,0,0,0,2,0|2,0,0]=4 532 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,0,0,0,2,0|2,0,0]=4 533 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,0,0,0,2,0|2,0,0]=4 534 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,0,0,0,0,2|2,0,0]=4 535 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 50047 [0,0,0,0,0,2|2,0,0]=4 536 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 C76122 [0,0,0,0,0,2|2,0,0]=4 537 B13R1.337 O=C(Cl)CCOCC1=CC=CC=C1 C11140 [0,0,0,0,0,2|1,0,0]=3 538 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 78486 [0,0,0,0,0,2|1,0,0]=3 539 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 AT23512 [0,0,0,0,0,2|1,0,0]=3 540 B13R1.337 O=C(O)CCSSC1=NC=CC=C1 H10128 [0,0,0,0,0,2|1,1,0]=4 541 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 W15237 [0,0,0,0,0,2|1,0,0]=3 542 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 C10829 [0,0,0,0,0,2|0,0,1]=3